4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one

C11H18N2OS — CID 106379699

IUPAC4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)CCC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C11H18N2OS/c1-11(2)4-3-8(5-11)12-6-9-7-15-10(14)13-9/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyQFRGJGXUOLAABF-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.10
Rot. Bonds3

About 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379699) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379699
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)CCC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C11H18N2OS/c1-11(2)4-3-8(5-11)12-6-9-7-15-10(14)13-9/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyQFRGJGXUOLAABF-UHFFFAOYSA-N
XLogP2.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379699) is 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one is CC1(C)CCC(NCc2csc(=O)[nH]2)C1.
What is the InChIKey of 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is QFRGJGXUOLAABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2)4-3-8(5-11)12-6-9-7-15-10(14)13-9/h7-8,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 226.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).